화학공학소재연구정보센터
Chemical Physics Letters, Vol.612, 162-166, 2014
Spectroscopic signature for ferroelectric ice
Various forms of ice exist within our galaxy. Particularly intriguing type of ice - 'ferroelectric ice' was discovered experimentally and is stable in temperatures below 72 K. This form of ice can generate enormous electric fields and can play an important role in planetary formation. In this letter we present Car-Parrinello simulation of infrared spectra of ferroelectric ice and compare them with spectra of hexagonal ice. Librational region of the spectra can be treated as spectroscopic signature of ice XI and can be of help to identify ferroelectric ice in the Universe. (C) 2014 Elsevier B.V. All rights reserved.